CID 3052251

Urea, n'-(aminoiminomethyl)-n-(2-chloro-6-methylphenyl)-n-methyl-, monohydrochloride

Structural Information

Molecular Formula
C10H13ClN4O
SMILES
CC1=C(C(=CC=C1)Cl)N(C)C(=O)N=C(N)N
InChI
InChI=1S/C10H13ClN4O/c1-6-4-3-5-7(11)8(6)15(2)10(16)14-9(12)13/h3-5H,1-2H3,(H4,12,13,14,16)
InChIKey
SQEFTWHPVULNRN-UHFFFAOYSA-N
Compound name
1-(2-chloro-6-methylphenyl)-3-(diaminomethylidene)-1-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

240.07779 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.085066 155.7
[M+Na]+ 263.067008 162.7
[M-H]- 239.070514 161.5
[M+NH4]+ 258.111613 174.0
[M+K]+ 279.040948 160.6
[M+H-H2O]+ 223.075050 149.4
[M+HCOO]- 285.075991 178.8
[M+CH3COO]- 299.091641 205.3
[M+Na-2H]- 261.052456 157.4
[M]+ 240.07724142 155.5
[M]- 240.07833858 155.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe